Details of the Drug

General Information of Drug (ID: DMZDACT)

Drug Name

N-(4-Sulfamoyl-phenyl)-benzamide

Synonyms

N-(4-sulfamoylphenyl)benzamide; CHEMBL23559; 4389-07-5; N-(4-Sulfamoyl-phenyl)-benzamide; AC1LF2IT; Cambridge id 5227171; Oprea1_273437; CBDivE_015411; ARONIS016836; SCHEMBL8422583; aromatic sulfonamide compound 17; BDBM16652; 4-Benzoylamino-benzenesulfonamide; VGYAUYNBRQPION-UHFFFAOYSA-N; MolPort-000-656-907; ZINC125245; KS-000049EF; p-(N-benzoylamino)benzenesulfonamide; STK056377; N-[4-(aminosulfonyl)phenyl]benzamide; AKOS000484672; MCULE-6142099718; phenyl-N-(4-sulfamoylphenyl)carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

276.31

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H12N2O3S
IUPAC Name: N-(4-sulfamoylphenyl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
InChIKey: VGYAUYNBRQPION-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 721954
TTD ID: D0KB6T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]
Carbonic anhydrase XII (CA-XII)	TTSYM0R	CAH12_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase XII (CA-XII)	DTT	CA12	3.29E-21	1.27	1.02
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33
Carbonic anhydrase IX (CA-IX)	DTT	CA9	1.12E-10	-0.03	-0.09

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozymes IX and XII with a library of aromatic and heteroaromatic sulfonamides. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4862-6.